SCHEMBL9166360

SCHEMBL9166360

CC(C)Cc1ccc(CCCCCOCCCC(=O)c2c(CCCC(=O)O)[nH]c3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.61
FFAR1 O14842 2/20 0.39
MAPT P10636 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
EGFR P00533 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
HDAC4 P56524 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9167173 0.91 OXER1 (0.66) OXER1FFAR1MAPTRXFP1EGFR
SCHEMBL9168348 0.88 OXER1 (0.50) OXER1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9165563 0.86 OXER1 (0.48) OXER1MAPTMTNR1AMTNR1BMEN1
SCHEMBL9166060 0.85 OXER1 (0.47) OXER1FFAR1MAPTRXFP1EGFR
SCHEMBL9166856 0.81 OXER1 (0.53) OXER1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9160593 0.79 OXER1 (0.61) OXER1MAPTEGFRMTNR1AMTNR1B
SCHEMBL9165482 0.79 OXER1 (0.63) OXER1MAPTEGFRMTNR1AMTNR1B
SCHEMBL9169003 0.79 OXER1 (0.67) OXER1MAPTEGFRMTNR1AMTNR1B
SCHEMBL286749 0.77 OXER1 (1.00) OXER1EGFRHPGDKDM4EALDH1A1
SCHEMBL9164420 0.77 OXER1 (0.91) OXER1MAPTEGFRMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648208-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-19 EP disclosed
WO-1994022821-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed